3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide

C24H37N3O3 — CID 93231303

IUPAC3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
SMILESCc1ccc(C(=O)N2CCC([C@@H](NC(=O)CC(C)C)C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C24H37N3O3/c1-16(2)14-21(28)26-22(23(29)25-15-17(3)4)19-10-12-27(13-11-19)24(30)20-8-6-18(5)7-9-20/h6-9,16-17,19,22H,10-15H2,1-5H3,(H,25,29)(H,26,28)/t22-/m1/s1
InChIKeyCPSRRIXNBWQUMR-JOCHJYFZSA-N
MW415.58 g/mol
LogP3.15
Rot. Bonds8

About 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide

3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide (PubChem CID 93231303) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
PubChem CID93231303
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
SMILESCc1ccc(C(=O)N2CCC([C@@H](NC(=O)CC(C)C)C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C24H37N3O3/c1-16(2)14-21(28)26-22(23(29)25-15-17(3)4)19-10-12-27(13-11-19)24(30)20-8-6-18(5)7-9-20/h6-9,16-17,19,22H,10-15H2,1-5H3,(H,25,29)(H,26,28)/t22-/m1/s1
InChIKeyCPSRRIXNBWQUMR-JOCHJYFZSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 46032262
4-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46020427
2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019378
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methylpropylamino)-2-oxoethyl]-2-methylpropanamide
CID 46154241
3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide
CID 24719482
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199679
3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide
CID 46154325
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199805
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93196567
2-methyl-N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019117

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide?
The IUPAC name of 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide (CID 93231303) is 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide is Cc1ccc(C(=O)N2CCC([C@@H](NC(=O)CC(C)C)C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide?
The InChIKey is CPSRRIXNBWQUMR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-16(2)14-21(28)26-22(23(29)25-15-17(3)4)19-10-12-27(13-11-19)24(30)20-8-6-18(5)7-9-20/h6-9,16-17,19,22H,10-15H2,1-5H3,(H,25,29)(H,26,28)/t22-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide?
3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide has a molecular weight of 415.58 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 93231303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).